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4-[5'-(1'',3''-Benzodioxol-5''-yl)methyl]-4'-isopropyl-2',2',3'-trimethyl-6'-oxo-perhydropyrrolo[3,4-c]pyrrol-1'-yl}benzamidine

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4-[5'-(1'',3''-Benzodioxol-5''-yl)methyl]-4'-isopropyl-2',2',3'-trimethyl-6'-oxo-perhydropyrrolo[3,4-c]pyrrol-1'-yl}benzamidine
SpectraBase Compound ID 47lxW3fnkPl
InChI InChI=1S/C27H34N4O3/c1-15(2)23-22-21(26(32)31(23)13-16-6-11-19-20(12-16)34-14-33-19)24(30(5)27(22,3)4)17-7-9-18(10-8-17)25(28)29/h6-12,15,21-24H,13-14H2,1-5H3,(H3,28,29)/t21?,22?,23?,24-/m0/s1
InChIKey CMVLQORCXHSURG-GVWQBGCGSA-N
Mol Weight 462.6 g/mol
Molecular Formula C27H34N4O3
Exact Mass 462.263091 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 80LRjobOQAT
Name 4-[5'-(1'',3''-Benzodioxol-5''-yl)methyl]-4'-isopropyl-2',2',3'-trimethyl-6'-oxo-perhydropyrrolo[3,4-c]pyrrol-1'-yl}benzamidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H34N4O3
InChI InChI=1S/C27H34N4O3/c1-15(2)23-22-21(26(32)31(23)13-16-6-11-19-20(12-16)34-14-33-19)24(30(5)27(22,3)4)17-7-9-18(10-8-17)25(28)29/h6-12,15,21-24H,13-14H2,1-5H3,(H3,28,29)/t21?,22?,23?,24-/m0/s1
InChIKey CMVLQORCXHSURG-GVWQBGCGSA-N
Molecular Weight 462.594 g/mol
SMILES N=C(c1ccc([C@@]2(N(C)C(C3C2C(N(Cc2cc4OCOc4cc2)C3C(C)C)=O)(C)C)[H])cc1)N
SPLASH splash10-01p2-0210900000-1f034544dc20a54f0153
Source of Spectrum H-83-899-51
Wiley ID 847038